(5-methyl-2-thiophen-2-yl-1,3-thiazol-4-yl) benzoate

C15H11NO2S2 — CID 1474014

IUPAC(5-methyl-2-thiophen-2-yl-1,3-thiazol-4-yl) benzoate
SMILESCc1sc(-c2cccs2)nc1OC(=O)c1ccccc1
InChIInChI=1S/C15H11NO2S2/c1-10-13(16-14(20-10)12-8-5-9-19-12)18-15(17)11-6-3-2-4-7-11/h2-9H,1H3
InChIKeyIICYOMJDFXXGBG-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.40
Rot. Bonds3

About (5-methyl-2-thiophen-2-yl-1,3-thiazol-4-yl) benzoate

(5-methyl-2-thiophen-2-yl-1,3-thiazol-4-yl) benzoate (PubChem CID 1474014) has the molecular formula C15H11NO2S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (5-methyl-2-thiophen-2-yl-1,3-thiazol-4-yl) benzoate.

Molecular Properties

Compound Name(5-methyl-2-thiophen-2-yl-1,3-thiazol-4-yl) benzoate
PubChem CID1474014
Molecular FormulaC15H11NO2S2
Molecular Weight301.39 g/mol
Exact Mass301.02
IUPAC Name(5-methyl-2-thiophen-2-yl-1,3-thiazol-4-yl) benzoate
SMILESCc1sc(-c2cccs2)nc1OC(=O)c1ccccc1
InChIInChI=1S/C15H11NO2S2/c1-10-13(16-14(20-10)12-8-5-9-19-12)18-15(17)11-6-3-2-4-7-11/h2-9H,1H3
InChIKeyIICYOMJDFXXGBG-UHFFFAOYSA-N
XLogP4.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) benzoate
CID 4313462
(4-methoxycarbonylphenyl) 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
CID 7668495
1-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-one
CID 118609248
1-(2-thiophen-2-yl-1,3-benzothiazol-6-yl)ethanone
CID 46894467
ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 61385398
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide
CID 90546787
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-phenoxyacetamide
CID 90546642
(4-bromo-2-fluorophenyl) 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
CID 18285222
(3-cyano-4-methyl-6-thiophen-2-yl-2-pyridinyl) 4-chlorobenzoate
CID 138858207
4-methyl-2-thiophen-2-yl-1,3-thiazole-5-sulfonyl chloride
CID 82093836
2-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butanoic acid
CID 116887132
5-methoxy-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 116887500

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-thiophen-2-yl-1,3-thiazol-4-yl) benzoate?
The IUPAC name of (5-methyl-2-thiophen-2-yl-1,3-thiazol-4-yl) benzoate (CID 1474014) is (5-methyl-2-thiophen-2-yl-1,3-thiazol-4-yl) benzoate.
What is the SMILES notation for (5-methyl-2-thiophen-2-yl-1,3-thiazol-4-yl) benzoate?
The canonical SMILES for (5-methyl-2-thiophen-2-yl-1,3-thiazol-4-yl) benzoate is Cc1sc(-c2cccs2)nc1OC(=O)c1ccccc1.
What is the InChIKey of (5-methyl-2-thiophen-2-yl-1,3-thiazol-4-yl) benzoate?
The InChIKey is IICYOMJDFXXGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S2/c1-10-13(16-14(20-10)12-8-5-9-19-12)18-15(17)11-6-3-2-4-7-11/h2-9H,1H3.
What are the key properties of (5-methyl-2-thiophen-2-yl-1,3-thiazol-4-yl) benzoate?
(5-methyl-2-thiophen-2-yl-1,3-thiazol-4-yl) benzoate has a molecular weight of 301.39 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-thiophen-2-yl-1,3-thiazol-4-yl) benzoate is sourced from PubChem (CID 1474014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).